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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227309 87561187 1 ClNNaSO3H6C9 ABCDE3F6G9 -143.16 7.45 0.0 0.0 0
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227310 87561199 1 N2O3C22H42 A2B3C22D42 -183.66 2.8 -9.15 0.83 0
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227311 87561200 1 O3C21H38 A3B21C38 -162.73 1.81 -9.67 0.81 0
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227312 87561209 1 ClN6H13C17 AB6C13D17 149.34 1.54 -9.7 -1.55 0
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227313 87561210 1 ClOF2N4C15H19 ABC2D4E15F19 -93.69 5.58 -9.09 -0.85 0
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227314 87561214 1 AsN3O3C28H34 AB3C3D28E34 13.91 8.32 -8.46 -0.73 0
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227315 87561218 1 OF7H7C11 AB7C7D11 -368.7 3.52 -10.3 -1.16 0
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227316 87561219 1 ClOH17C27 ABC17D27 66.91 2.55 -8.73 -1.15 0
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227317 87561220 1 ClOH15C27 ABC15D27 101.41 3.17 -8.64 -1.68 0
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227318 87561223 1 CaClPS2N5O5H21C25 ABCD2E5F5G21H25 -121.48 10.55 -7.38 -1.38 0
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227319 87561226 2 ON2H7C8 AB2C7D8 36.71 2.82 -8.55 -1.01 0
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227320 87561227 2 ON2C8H8 AB2C8D8 12.02 6.1 -8.65 -0.22 0
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227321 87561232 1 SO2C7H10 AB2C7D10 -69.87 3.88 -9.3 -0.39 0
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227322 87561239 1 SN3O7C19H27 AB3C7D19E27 -239.11 9.6 -8.66 -0.39 0
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227323 87561241 1 ClPNa2S2N5O5H21C25 ABC2D2E5F5G21H25 -265.92 5.56 -7.22 -0.59 0
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227324 87561265 1 SN3O3H19C20 AB3C3D19E20 -29.09 5.13 -8.94 -1.51 0
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227325 87561272 1 N2O4C63H130 A2B4C63D130 -472.67 9.2 -8.72 0.47 0
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227326 87561300 1 NSO3C13H25 ABC3D13E25 -187.48 3.47 -8.8 0.4 0
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227327 87561302 1 ClFSN4O4C21H22 ABCD4E4F21G22 -129.26 5.0 -9.78 -1.26 0
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227328 87561310 1 ClOF2N4C15H19 ABC2D4E15F19 -92.0 7.67 -8.8 -0.64 0
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227329 87561316 1 O4F6N6C49H58 A4B6C6D49E58 -386.02 3.08 -8.82 -0.61 0
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227330 87561318 1 O3C30H50 A3B30C50 -155.69 2.06 -9.28 0.95 0
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227331 87561322 1 ClNaOC2H6 ABCD2E6 -94.2 8.69 -8.18 0.28 0
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227332 87561323 1 AsNOC9H12 ABCD9E12 -5.79 5.1 -9.15 -0.37 0
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227333 87561325 1 F2O3N7C22H23 A2B3C7D22E23 -106.09 2.82 -8.56 -0.91 1
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227335 87561330 1 ClKSN2O3H5C8 ABCD2E3F5G8 -132.23 8.46 0.0 0.0 0
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227336 87561332 1 NPSCl3O4H17C21 ABCD3E4F17G21 -168.98 2.96 -8.87 -0.88 0
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227337 87561358 1 ClN2O2H9C10 AB2C2D9E10 -6.79 3.55 -9.63 -0.95 0
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227338 87561359 1 O6C23H30 A6B23C30 -231.34 7.09 -9.06 -0.24 0
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227339 87561362 1 N4O5H24C27 A4B5C24D27 -63.23 1.34 -8.46 -1.11 0
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227340 87561363 1 N4O5H28C30 A4B5C28D30 -61.72 7.56 -8.38 -0.93 0
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227341 87561371 1 O2F3N6C24H29 A2B3C6D24E29 -141.3 1.49 -8.52 -0.66 0
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227342 87561377 1 SSiO7C23H42 ABC7D23E42 -366.87 2.31 -9.21 -0.07 0
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227343 87561381 1 N3H17C21 A3B17C21 106.45 2.58 -9.37 -1.14 0
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227344 87561383 1 N3O4C32H61 A3B4C32D61 -241.96 9.08 -9.54 -0.57 0
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227345 87561397 1 ON2H24C26 AB2C24D26 28.72 3.76 -8.32 -0.05 0
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227346 87561398 1 S2N3O4C17H25 A2B3C4D17E25 -113.69 4.15 -8.48 -0.35 0
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227347 87561399 1 SO3N4C24H28 AB3C4D24E28 -31.63 3.59 -8.75 -1.42 0
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227348 87561400 1 ISiO3C11H25 ABC3D11E25 -250.87 4.41 -8.7 -0.02 0
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227349 87561424 1 ClFSN4O4H14C17 ABCD4E4F14G17 -106.05 1.64 -10.02 -1.45 0
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227351 87561435 1 NSO4C28H33 ABC4D28E33 -137.59 2.94 -8.22 -1.03 0
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227352 87561440 1 O3N4F9H19C29 A3B4C9D19E29 -454.71 3.9 -9.38 -1.5 0
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227353 87561446 1 ClNaSO3H10C18 ABCD3E10F18 -99.63 13.13 -8.59 -1.9 0
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227354 87561449 1 NSiO4C26H51 ABC4D26E51 -303.44 1.53 -8.82 -0.51 0
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227355 87561454 1 N2O3C9H20 A2B3C9D20 -134.77 2.91 -8.89 0.15 0
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227356 87561456 1 ClO2H11C19 AB2C11D19 -21.36 6.2 -9.03 -1.49 0
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227357 87561472 1 O4C21H36 A4B21C36 -184.99 5.1 -9.53 0.19 0
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227358 87561488 1 NSiF3O4C18H28 ABC3D4E18F28 -349.29 3.87 -9.15 -0.99 0
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227359 87561489 1 ClNO2H10C20 ABC2D10E20 74.0 6.22 -8.76 -1.92 0
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227360 87561493 1 NO3C24H41 AB3C24D41 -126.0 2.57 -9.48 0.58 0